2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine

C20H25NO4S — CID 110644106

IUPAC2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)cc1
InChIInChI=1S/C20H25NO4S/c1-3-24-18-9-11-20(12-10-18)26(22,23)21-14-19(25-15-16(21)2)13-17-7-5-4-6-8-17/h4-12,16,19H,3,13-15H2,1-2H3
InChIKeyOZCCIBSLYHCDOU-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.11
Rot. Bonds6

About 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine

2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine (PubChem CID 110644106) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine.

Molecular Properties

Compound Name2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
PubChem CID110644106
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)cc1
InChIInChI=1S/C20H25NO4S/c1-3-24-18-9-11-20(12-10-18)26(22,23)21-14-19(25-15-16(21)2)13-17-7-5-4-6-8-17/h4-12,16,19H,3,13-15H2,1-2H3
InChIKeyOZCCIBSLYHCDOU-UHFFFAOYSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099
2-benzyl-5-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644108
2-benzyl-4-(4-methoxy-2-methylphenyl)sulfonyl-5-methylmorpholine
CID 110644079
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine
CID 90567328
2-(2-benzyl-5-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 110644115
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
3-(4-ethoxyphenyl)sulfonyl-2-methyl-5-phenyl-1,3-oxazolidine
CID 110740592
2-benzyl-4-[(4-fluorophenyl)methylsulfonyl]-5-methylmorpholine
CID 110644096
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[1-(4-ethoxyphenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582144

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine?
The IUPAC name of 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine (CID 110644106) is 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine.
What is the SMILES notation for 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine?
The canonical SMILES for 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine is CCOc1ccc(S(=O)(=O)N2CC(Cc3ccccc3)OCC2C)cc1.
What is the InChIKey of 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine?
The InChIKey is OZCCIBSLYHCDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-3-24-18-9-11-20(12-10-18)26(22,23)21-14-19(25-15-16(21)2)13-17-7-5-4-6-8-17/h4-12,16,19H,3,13-15H2,1-2H3.
What are the key properties of 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine?
2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine has a molecular weight of 375.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-ethoxyphenyl)sulfonyl-5-methylmorpholine is sourced from PubChem (CID 110644106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).